Geometry & MOs

Info

ID:	395802
PubChem CID:	135026595
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	390.01396
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	3.44
IP(EA), eV:	-8.39(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-5-iodo-3-methyl-9-oxooxonane-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1C(C(C(=O)OC)C(=O)OC)N2C=CC3=CC=CC=C32

DOS

IR

Vibrations